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Physical review. B, Condensed matter

Constraints on pairings in the Hubbard model

Yu Shi

Published Jun 15, 1995• 2 citations
Publisher

Abstract

Pairing operators of electrons with an arbitrary distance on a square lattice are defined in each possible wave channel, s, p, ${\mathit{d}}_{\mathit{x}}^{2}$-${\mathit{y}}^{2}$, ${\mathit{d}}_{\mathit{x}\mathit{y}}$, and ${\mathit{g}}_{\mathit{x}}^{3}$y-${\mathit{xy}}^{3}$. Exact identities among pairing amplitudes in the Hubbard model are presented, giving powerful constraints on the nature of pairings. At half filling, some of the pairing amplitudes, including those of the second-shortest pairing distance, vanish identically in each wave channel except the p wave. There are correlations among pairing amplitudes away from half filling, as well as nonidentically vanishing ones at half filling. Even if the pairing amplitudes vanish up to a certain distance, those of larger distances can still possibly be nonzero. The order of magnitude is estimated for the pairine amplitudes, indicating that those of large distances can by no means be neglected. The scheme is also used in the extended Hubbard model including nearest-neighbor density-density interaction and that including next-nearest-neighbor hopping. In that including nearest-neighbor interaction, the features of pairing amplitudes are just the same as in the original Hubbard model at half filling, and are also similar away from half filling, but with the difference that the amplitude is now dependent on the nearest-neighbor interaction. In the model including next-nearest-neighbor hopping, the features are quite different, the constraint identities are more underconstrained, and the amplitude has no monotonic dependence upon the pairing distance if the next-nearest-neighbor hopping has an opposite sign to the nearest-neighbor hopping as required physically. The same scheme is also used to discuss the possible pairings in the coupled two-plane Hubbard model and in the infinite-layer Hubbard model.

DOI
10.1103/physrevb.51.16619

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Pairing operators of electrons with an arbitrary distance on a square lattice are defined in each possible wave channel, s, p, dx2{\mathit{d}}_{\mathit{x}}^{2}dx2​-y2{\mathit{y}}^{2}y2, dxy{\mathit{d}}_{\mathit{x}\mathit{y}}dxy​, and gx3{\mathit{g}}_{\mathit{x}}^{3}gx3​y-xy3{\mathit{xy}}^{3}xy3. Exact identities among pairing amplitudes in the Hubbard model are presented, giving powerful constraints on the nature of pairings. At half filling, some of the pairing amplitudes, including those of the second-shortest pairing distance, vanish identically in each wave channel except the p wave. There are correlations among pairing amplitudes away from half filling, as well as nonidentically vanishing ones at half filling. Even if the pairing amplitudes vanish up to a certain distance, those of larger distances can still possibly be nonzero. The order of magnitude is estimated for the pairine amplitudes, indicating that those of large distances can by no means be neglected. The scheme is also used in the extended Hubbard model including nearest-neighbor density-density interaction and that including next-nearest-neighbor hopping. In that including nearest-neighbor interaction, the features of pairing amplitudes are just the same as in the original Hubbard model at half filling, and are also similar away from half filling, but with the difference that the amplitude is now dependent on the nearest-neighbor interaction. In the model including next-nearest-neighbor hopping, the features are quite different, the constraint identities are more underconstrained, and the amplitude has no monotonic dependence upon the pairing distance if the next-nearest-neighbor hopping has an opposite sign to the nearest-neighbor hopping as required physically. The same scheme is also used to discuss the possible pairings in the coupled two-plane Hubbard model and in the infinite-layer Hubbard model.
We investigate the ground state of the Hubbard model in one and two dimensions. Long perturbation expansions in t/U, i.e., about the atomic limit, are computed for the ground-state energy of finite lattices with N\ensuremath{\le}10 for arbitrary electron density. We also extend the series for the one-dimensional infinite lattice by expanding the Bethe-ansatz equations. Pad\'e-approximant analysis of the series shows a distribution of singularities that varies dramatically with the electron density n. We also investigate the effect of inclusion of next-nearest-neighbor hopping. This appears to have little effect at half-filling but is significant away from half-filling.
We consider an extended Hubbard model of interacting fermions on a lattice. The fermion kinetic energy corresponds to a tight-binding Hamiltonian with nearest-neighbor (-t) and next-nearest-neighbor (t∣IH{\mathrm{t}}^{|\mathrm{I}\mathrm{H}}t∣IH) hopping matrix elements. In addition to the on-site Hubbard interaction (U) we also consider a nearest-neighbor repulsion (V). We obtain the zero-temperature phase diagram of our model within the Hartree-Fock approximation. We consider ground states having charge- and spin-density-wave ordering as well as states with orbital antiferromagnetism or spin nematic order. The latter two states correspond to particle-hole binding with ${\mathrm{d}}_{{\mathrm{x}}^{2}\mathrm{\ensuremath{-}}{\mathrm{y}}^{2}}$ symmetry in the charge and spin channels, respectively. For t∣IH{\mathrm{t}}^{|\mathrm{I}\mathrm{H}}t∣IH=0, only the charge-density-wave and spin-density-wave states are energetically stable. For nonzero t∣IH{\mathrm{t}}^{|\mathrm{I}\mathrm{H}}t∣IH, we find that orbital antiferromagnetism (or spin nematic) order is stable over a finite portion of the phase diagram at weak coupling. This region of stability is seen to grow with increasing values of t∣IH{\mathrm{t}}^{|\mathrm{I}\mathrm{H}}t∣IH.
Our previous mean-field study concerning superconducting pairings in the extended Hubbard model with on-site repulsive and intersite attractive interaction and arbitrary electron density is extended to include the effects of nearest-neighbor exchange (JJJ) and correlated hopping (KKK) interaction. Detailed numerical analysis of sss-, ppp-, and ddd-wave pairing solutions is performed for the two-dimensional square lattice with nearest- (ttt) and next-nearest- (t2{t}_{2}t2​) neighbor hopping, and the resulting mutual stability phase diagrams are given as a function of band filling and the interaction parameters. Antiferromagnetic exchange can enhance both the ddd-wave and the extended sss-wave pairing. If it prevails over the repulsive intersite density-density interaction, such a term can be a leading mechanism for superconductivity. However, its effects strongly depend on the band filling and the t2t\frac{{t}_{2}}{t}tt2​​ ratio, giving in particular for t2=0{t}_{2}=0t2​=0 sss-wave (ddd-wave) pairing as most favorable in the low (high) density limit, but increasing t2{t}_{2}t2​ can even reverse this tendency. The correlated hopping term which breaks the electron-hole symmetry affects sss-wave pairing mostly. A condensation transition (phase separation), possible in the presence of the attractive density-density interaction, is also analyzed within the random-phase approximation, and stability conditions of such an electron droplet phase with respect to other types of ordering are determined as a function of the band filling for the two-dimensional square lattice.
We study the behavior of pair susceptibilities in the two-dimensional repulsive Hubbard model with next-nearest-neighbor hopping t2{t}_{2}t2​ by Monte Carlo simulations. In a certain range of band filling, we find that the d-wave pair susceptibilities can be enhanced by a Hubbard repulsion U with respect to the noninteracting case, unlike the case with t2{t}_{2}t2​=0. We discuss the connection of this model to CuO2{\mathrm{CuO}}_{2}CuO2​ planes in the oxide superconductors and the possible implication of our results for these materials.
We study the magnetic properties of the two-dimensional Hubbard model with nearest-neighbor (t) and next-nearest-neighbor (t2{t}_{2}t2​) hopping and on-site repulsion U. We first calculate the mean-field phase diagram as a function of band filling and U. Because of the Van Hove singularity in the density of states, we find a ferromagnetic phase extending to zero U for certain band filling. For the half-filled band case, antiferromagnetism sets in at a finite value of U if t2{t}_{2}t2​\ensuremath{\ne}0. We study the behavior of spin-spin correlation functions for small lattices of up to N=64 atoms using Monte Carlo simulations, as well as exact diagonalization for N=4. Our results show enhanced ferromagnetic correlations in some regions, but apparently no ferromagnetic long-range order. In the half-filled case, our numerical results are consistent with a nonzero critical U. For a non-half-filled band our results suggest that there is no long-range order.